Research chemical
CAS Number: 116059-04-2
![6,9,12,15,18,29,32,35,38,41-Decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene molecular structure, CAS 116059-04-2](/structure-images/116059-04-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
10678053
Exact Mass
636.293448
InChIKey
NBIUUSZJGWLLNW-UHFFFAOYSA-N
SMILES String
c1cc2c3cccc(c3c1)OCCOCCOCCOCCOc1cccc3c(cccc13)OCCOCCOCCOCCO2
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
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6,9,12,15,18,29,32,35,38,41-Decaoxapentacyclo[40.4.0.05,46.019,24.023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene is identified by CAS 116059-04-2, with molecular formula C36H44O10, molecular weight 636.7, InChIKey NBIUUSZJGWLLNW-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
46
H-bond acceptors
10
H-bond donors
0
Rotatable bonds
0
Ring count
5
Aromatic rings
4
Topological polar surface area
92.3 Ų
Computed LogP
5.32
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
6,9,12,15,18,29,32,35,38,41-Decaoxapentacyclo[40. 4. 0. 05,46. 019,24. 023,28]hexatetraconta-1(46),2,4,19,21,23,25,27,42,44-decaene (CAS 116059-04-2) is maintained as a cataloged research chemical with formula C36H44O10, molecular weight 636.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.